(N-Methylanilino)isopropylphenylborane
TL;DR: (N-Methylanilino)isopropylphenylborane (CAS 39967-39-0) is a chemical compound with molecular formula C16H20BN and molecular weight 237.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[phenyl(propan-2-yl)boranyl]aniline
Also Known As: Isopropyl phenylborane, (N-Methylanilino)isopropylphenylborane, Isopropyl(N-methylanilino)phenylborane, N-methyl-N-[phenyl(propan-2-yl)boranyl]aniline, N-[Isopropyl(phenyl)boryl]-N-methylaniline #
| Molecular Formula | C16H20BN |
|---|---|
| Molecular Weight | 237.17 g/mol |
| LogP | 3.4315 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.16888 |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 39967-39-0 |
|---|---|
| SMILES | B(C1=CC=CC=C1)(C(C)C)N(C)C2=CC=CC=C2 |
| InChIKey | QNUVCYSLWWUCMS-UHFFFAOYSA-N |
Product Overview
(N-Methylanilino)isopropylphenylborane (CAS 39967-39-0), with molecular formula C16H20BN and molecular weight 237.17 g/mol. IUPAC: N-methyl-N-[phenyl(propan-2-yl)boranyl]aniline.
Chemical Property Profile of (N-Methylanilino)isopropylphenylborane
Property Insights of (N-Methylanilino)isopropylphenylborane
The XLogP value of 3.4315 indicates that (N-Methylanilino)isopropylphenylborane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, (N-Methylanilino)isopropylphenylborane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (N-Methylanilino)isopropylphenylborane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (N-Methylanilino)isopropylphenylborane?
The CAS number of (N-Methylanilino)isopropylphenylborane is 39967-39-0.
What is the molecular formula of (N-Methylanilino)isopropylphenylborane?
The molecular formula of (N-Methylanilino)isopropylphenylborane is C16H20BN.
What is the molecular weight of (N-Methylanilino)isopropylphenylborane?
The molecular weight of (N-Methylanilino)isopropylphenylborane is 237.17 g/mol.
Where can I buy (N-Methylanilino)isopropylphenylborane?
You can request a quote for (N-Methylanilino)isopropylphenylborane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N-Methylanilino)isopropylphenylborane?
Yes, KEHONG BIO provides custom synthesis services for (N-Methylanilino)isopropylphenylborane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.